4-propan-2-yl-2-(trifluoromethyl)thiophen-3-amine

C8H10F3NS — CID 164945678

IUPAC4-propan-2-yl-2-(trifluoromethyl)thiophen-3-amine
SMILESCC(C)c1csc(C(F)(F)F)c1N
InChIInChI=1S/C8H10F3NS/c1-4(2)5-3-13-7(6(5)12)8(9,10)11/h3-4H,12H2,1-2H3
InChIKeyDSRJMPBOWXPXNW-UHFFFAOYSA-N
MW209.24 g/mol
LogP3.47
Rot. Bonds1

About 4-propan-2-yl-2-(trifluoromethyl)thiophen-3-amine

4-propan-2-yl-2-(trifluoromethyl)thiophen-3-amine (PubChem CID 164945678) has the molecular formula C8H10F3NS and a molecular weight of 209.24 g/mol. Its IUPAC name is 4-propan-2-yl-2-(trifluoromethyl)thiophen-3-amine.

Molecular Properties

Compound Name4-propan-2-yl-2-(trifluoromethyl)thiophen-3-amine
PubChem CID164945678
Molecular FormulaC8H10F3NS
Molecular Weight209.24 g/mol
Exact Mass209.05
IUPAC Name4-propan-2-yl-2-(trifluoromethyl)thiophen-3-amine
SMILESCC(C)c1csc(C(F)(F)F)c1N
InChIInChI=1S/C8H10F3NS/c1-4(2)5-3-13-7(6(5)12)8(9,10)11/h3-4H,12H2,1-2H3
InChIKeyDSRJMPBOWXPXNW-UHFFFAOYSA-N
XLogP3.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-(trifluoromethyl)thiophen-3-amine?
The IUPAC name of 4-propan-2-yl-2-(trifluoromethyl)thiophen-3-amine (CID 164945678) is 4-propan-2-yl-2-(trifluoromethyl)thiophen-3-amine.
What is the SMILES notation for 4-propan-2-yl-2-(trifluoromethyl)thiophen-3-amine?
The canonical SMILES for 4-propan-2-yl-2-(trifluoromethyl)thiophen-3-amine is CC(C)c1csc(C(F)(F)F)c1N.
What is the InChIKey of 4-propan-2-yl-2-(trifluoromethyl)thiophen-3-amine?
The InChIKey is DSRJMPBOWXPXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NS/c1-4(2)5-3-13-7(6(5)12)8(9,10)11/h3-4H,12H2,1-2H3.
What are the key properties of 4-propan-2-yl-2-(trifluoromethyl)thiophen-3-amine?
4-propan-2-yl-2-(trifluoromethyl)thiophen-3-amine has a molecular weight of 209.24 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-(trifluoromethyl)thiophen-3-amine is sourced from PubChem (CID 164945678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).